1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one

C17H13N5O — CID 155663250

IUPAC1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one
SMILESO=c1c(-c2nn[nH]n2)cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H13N5O/c23-16-13-8-4-5-9-15(13)22(10-12-6-2-1-3-7-12)11-14(16)17-18-20-21-19-17/h1-9,11H,10H2,(H,18,19,20,21)
InChIKeyGUXDGMHWHKQYJX-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.23
Rot. Bonds3

About 1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one

1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one (PubChem CID 155663250) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one.

Molecular Properties

Compound Name1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one
PubChem CID155663250
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one
SMILESO=c1c(-c2nn[nH]n2)cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H13N5O/c23-16-13-8-4-5-9-15(13)22(10-12-6-2-1-3-7-12)11-14(16)17-18-20-21-19-17/h1-9,11H,10H2,(H,18,19,20,21)
InChIKeyGUXDGMHWHKQYJX-UHFFFAOYSA-N
XLogP2.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one?
The IUPAC name of 1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one (CID 155663250) is 1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one.
What is the SMILES notation for 1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one?
The canonical SMILES for 1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one is O=c1c(-c2nn[nH]n2)cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one?
The InChIKey is GUXDGMHWHKQYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-16-13-8-4-5-9-15(13)22(10-12-6-2-1-3-7-12)11-14(16)17-18-20-21-19-17/h1-9,11H,10H2,(H,18,19,20,21).
What are the key properties of 1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one?
1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one has a molecular weight of 303.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2H-tetrazol-5-yl)quinolin-4-one is sourced from PubChem (CID 155663250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).